#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otm s THR 4 N 0.00 4.16 0.37 -0.44 -4.23 -1.26 -4.98 115.64 109.26 2otm s THR 4 Ca 0.00 -1.41 0.12 0.00 -1.18 0.00 0.00 61.69 59.23 2otm s THR 4 Cb 0.00 -3.33 0.35 0.00 1.34 0.00 0.00 72.50 70.86 2otm s THR 4 CO 0.00 -0.30 1.84 -0.65 -0.54 0.00 0.00 174.62 174.97 2otm h PRO 5 N 1.43 0.55 -0.80 3.99 0.11 -1.90 -0.63 132.00 134.76 2otm h PRO 5 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2otm h PRO 5 Cb 1.24 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2otm h PRO 5 CO 0.60 0.37 0.45 0.93 -0.21 0.00 0.00 178.00 180.14 2otm h GLU 6 N 0.57 1.10 -0.42 1.05 3.07 -1.94 -0.82 114.58 117.18 2otm h GLU 6 Ca 0.49 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 59.16 2otm h GLU 6 Cb 0.97 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 2otm h GLU 6 CO -0.23 0.80 -0.03 0.66 -1.40 0.00 0.00 179.01 178.81 2otm h SER 7 N 1.10 0.67 0.02 1.42 4.64 -1.52 -1.62 113.55 118.26 2otm h SER 7 Ca 0.28 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.29 2otm h SER 7 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2otm h SER 7 CO -0.05 0.76 -0.50 0.03 -0.87 0.00 0.00 176.83 176.21 2otm h ARG 8 N 0.66 0.54 -0.49 4.77 3.08 -0.88 0.20 114.38 122.25 2otm h ARG 8 Ca 0.13 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2otm h ARG 8 Cb 0.45 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2otm h ARG 8 CO 0.02 0.91 0.30 -0.07 -1.07 0.00 0.00 179.97 180.06 2otm h LEU 9 N 0.43 0.59 0.22 3.04 3.38 -0.88 -0.56 115.31 121.54 2otm h LEU 9 Ca 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2otm h LEU 9 Cb 1.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2otm h LEU 9 CO 0.09 0.48 -0.11 0.58 0.09 0.00 0.00 178.44 179.58 2otm h VAL 10 N 0.66 0.79 -0.31 1.22 2.07 -0.87 0.10 116.25 119.91 2otm h VAL 10 Ca 0.18 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.74 2otm h VAL 10 Cb -0.00 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2otm h VAL 10 CO -0.03 0.01 0.22 0.00 0.02 0.00 0.00 177.57 177.79 2otm h ALA 11 N 0.46 2.26 -0.01 1.67 0.00 -0.46 0.20 119.26 123.38 2otm h ALA 11 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2otm h ALA 11 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2otm h ALA 11 CO 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 179.25 178.91 2otm n ALA 12 N -2.59 2.69 -2.23 0.00 0.00 -0.23 -4.91 120.51 113.24 2otm n ALA 12 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2otm n ALA 12 Cb 0.37 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2otm n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otm n GLY 13 N 1.16 -0.12 3.59 0.00 0.00 0.72 -5.02 105.19 105.52 2otm n GLY 13 Ca 0.19 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2otm n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otm s LEU 14 N -3.55 3.67 -0.15 0.99 1.43 0.31 -5.02 118.68 116.36 2otm s LEU 14 Ca 0.00 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 2otm s LEU 14 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2otm s LEU 14 CO 0.00 0.15 0.05 -1.83 0.23 0.00 0.00 176.35 174.96 2otm s GLU 15 N 0.49 3.63 0.07 1.70 4.04 -1.26 -4.18 118.70 123.19 2otm s GLU 15 Ca 0.02 -0.33 -0.31 0.00 0.04 0.00 0.00 54.97 54.39 2otm s GLU 15 Cb -0.13 -3.09 -0.06 0.00 0.02 0.00 0.00 34.13 30.87 2otm s GLU 15 CO 0.01 0.46 1.22 -0.51 -1.84 0.00 0.00 175.26 174.61 2otm s LEU 16 N -0.18 4.37 0.94 1.83 1.43 -1.26 -5.00 118.68 120.81 2otm s LEU 16 Ca 0.07 2.06 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2otm s LEU 16 Cb -0.12 -3.58 0.15 0.00 0.03 0.00 0.00 46.19 42.67 2otm s LEU 16 CO 0.01 -0.49 1.10 -2.16 0.23 0.00 0.00 176.35 175.04 2otm s PRO 17 N 1.02 0.91 0.35 1.29 0.04 -1.26 -4.99 135.00 132.35 2otm s PRO 17 Ca 0.59 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 2otm s PRO 17 Cb -0.31 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2otm s PRO 17 CO 0.30 -2.42 1.31 -1.83 0.04 0.00 0.00 177.00 174.39 2otm s GLU 18 N -5.01 4.25 -0.01 4.56 1.03 -1.26 -4.87 118.70 117.39 2otm s GLU 18 Ca 0.64 2.20 -0.30 0.00 0.03 0.00 0.00 54.97 57.54 2otm s GLU 18 Cb -0.18 -2.98 -0.04 0.00 -0.80 0.00 0.00 34.13 30.13 2otm s GLU 18 CO 0.57 -0.27 1.27 0.08 -1.33 0.00 0.00 175.26 175.58 2otm s VAL 19 N -1.18 4.02 0.59 1.83 1.01 -1.26 -4.97 120.40 120.44 2otm s VAL 19 Ca 0.51 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 63.71 2otm s VAL 19 Cb -0.39 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2otm s VAL 19 CO 0.52 0.02 1.09 0.00 0.00 0.00 0.00 175.10 176.73 2otm s ALA 20 N 2.05 2.65 0.41 5.51 0.00 -1.26 -5.02 121.76 126.10 2otm s ALA 20 Ca 0.59 0.57 -0.24 0.00 0.00 0.00 0.00 51.96 52.89 2otm s ALA 20 Cb -0.28 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 2otm s ALA 20 CO 0.25 -0.90 1.06 0.00 0.00 0.00 0.00 175.76 176.17 2otm s ALA 21 N -2.20 3.07 0.52 0.00 0.00 -1.26 -5.02 121.76 116.87 2otm s ALA 21 Ca 0.67 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 53.15 2otm s ALA 21 Cb -0.19 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 2otm s ALA 21 CO 0.34 -0.26 0.84 0.00 0.00 0.00 0.00 175.76 176.67 2otm n ALA 22 N -0.15 -0.29 1.68 0.00 0.00 -1.26 -4.92 120.51 115.57 2otm n ALA 22 Ca 0.05 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.73 2otm n ALA 22 Cb 0.50 -2.00 0.78 0.00 0.00 0.00 0.00 19.45 18.73 2otm n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2otm n LEU 23 N 0.15 0.28 0.00 0.00 4.77 -1.26 -4.97 117.00 115.97 2otm n LEU 23 Ca 0.11 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2otm n LEU 23 Cb 0.44 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2otm n LEU 23 CO 0.53 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2otm n GLY 24 N 1.15 2.73 2.52 -0.72 0.00 -1.26 -5.06 105.19 104.55 2otm n GLY 24 Ca 0.19 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 2otm n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2otm n ASN 25 N -0.45 7.50 -4.22 1.61 2.85 -1.26 -4.89 115.26 116.40 2otm n ASN 25 Ca 0.00 -3.26 -0.12 0.00 -0.11 0.00 0.00 54.58 51.09 2otm n ASN 25 Cb 0.00 -1.29 -0.10 0.00 1.24 0.00 0.00 39.78 39.63 2otm n ASN 25 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2otm s TYR 26 N -1.84 1.14 0.16 1.20 -0.85 -1.26 -5.15 117.35 110.74 2otm s TYR 26 Ca 0.54 -1.18 -0.15 0.00 -0.52 0.00 0.00 57.07 55.75 2otm s TYR 26 Cb 0.25 -0.63 -0.07 0.00 0.38 0.00 0.00 41.96 41.89 2otm s TYR 26 CO -0.15 -0.41 0.58 -1.21 -1.52 0.00 0.00 175.55 172.84 2otm s GLU 27 N -4.02 4.03 0.59 -3.49 0.41 -1.26 -4.79 118.70 110.17 2otm s GLU 27 Ca 0.29 0.57 0.37 0.00 -0.41 0.00 0.00 54.97 55.78 2otm s GLU 27 Cb 0.07 -2.92 1.72 0.00 -1.78 0.00 0.00 34.13 31.22 2otm s GLU 27 CO 0.06 0.46 2.12 -1.00 -0.49 0.00 0.00 175.26 176.41 2otm h PRO 28 N 3.53 0.00 -3.36 0.39 0.13 -1.98 -3.40 132.00 127.32 2otm h PRO 28 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2otm h PRO 28 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2otm h PRO 28 CO 0.66 0.01 -0.03 1.52 -0.23 0.00 0.00 178.00 179.93 2otm s TYR 29 N -3.85 -0.17 0.16 1.56 -0.85 -1.26 -1.02 117.35 111.92 2otm s TYR 29 Ca -0.01 -0.15 -0.01 0.00 -0.52 0.00 0.00 57.07 56.38 2otm s TYR 29 Cb 0.10 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2otm s TYR 29 CO 0.50 -0.79 0.09 -1.54 -1.52 0.00 0.00 175.55 172.30 2otm s SER 30 N -2.83 0.25 -0.04 -0.18 1.04 -1.26 -4.96 113.70 105.72 2otm s SER 30 Ca 0.06 -1.30 -0.00 0.00 0.48 0.00 0.00 55.95 55.19 2otm s SER 30 Cb 0.01 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.49 2otm s SER 30 CO -0.08 -0.78 0.00 -0.63 0.98 0.00 0.00 173.24 172.73 2otm s ILE 31 N -4.10 0.22 -0.13 -1.02 1.01 -1.26 -4.34 121.20 111.59 2otm s ILE 31 Ca 0.31 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2otm s ILE 31 Cb 0.07 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.23 2otm s ILE 31 CO 0.07 0.18 -0.12 0.54 0.00 0.00 0.00 174.94 175.60 2otm s VAL 32 N 1.27 1.39 0.00 2.92 0.11 -0.31 -4.98 120.40 120.80 2otm s VAL 32 Ca -0.06 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 2otm s VAL 32 Cb -0.13 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.39 2otm s VAL 32 CO -0.02 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 2otm n GLY 33 N 4.74 3.32 1.44 6.54 0.00 -1.26 -0.80 105.19 119.16 2otm n GLY 33 Ca -0.16 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.23 2otm n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2otm n SER 34 N 7.45 4.20 -4.38 1.61 3.41 -1.26 -4.91 113.62 119.75 2otm n SER 34 Ca 0.00 -2.12 -0.36 0.00 -0.26 0.00 0.00 58.87 56.13 2otm n SER 34 Cb 0.00 -0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 63.30 2otm n SER 34 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2otm s GLN 35 N -1.23 3.51 0.43 4.33 -0.21 0.01 -0.58 119.66 125.93 2otm s GLN 35 Ca 0.50 -0.55 0.07 0.00 0.02 0.00 0.00 55.36 55.40 2otm s GLN 35 Cb 0.28 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 2otm s GLN 35 CO 0.32 -0.20 0.38 -1.17 -2.12 0.00 0.00 175.29 172.50 2otm s LEU 36 N 1.55 3.30 0.09 2.90 2.96 0.71 -1.16 118.68 129.02 2otm s LEU 36 Ca 0.06 -0.82 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 2otm s LEU 36 Cb -0.15 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 2otm s LEU 36 CO 0.00 -0.72 -0.07 0.42 -1.32 0.00 0.00 176.35 174.66 2otm s THR 38 N -2.52 0.74 0.59 3.68 -4.23 -0.57 -0.46 115.64 112.87 2otm s THR 38 Ca 0.47 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.11 2otm s THR 38 Cb -0.03 -1.48 0.14 0.00 1.34 0.00 0.00 72.50 72.47 2otm s THR 38 CO 0.27 -0.74 0.80 -1.20 -0.54 0.00 0.00 174.62 173.21 2otm n SER 39 N 0.27 0.05 -4.74 3.99 7.64 -0.19 -4.63 113.62 116.01 2otm n SER 39 Ca -0.14 -1.29 -0.41 0.00 1.01 0.00 0.00 58.87 58.04 2otm n SER 39 Cb 0.59 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 2otm n SER 39 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2otm s GLY 40 N -4.75 2.42 -0.06 0.23 0.00 -1.26 -4.66 107.32 99.24 2otm s GLY 40 Ca 0.46 1.12 0.04 0.00 0.00 0.00 0.00 44.72 46.34 2otm s GLY 40 CO 0.32 2.10 -0.17 1.20 0.00 0.00 0.00 173.10 176.55 2otm s GLN 41 N -0.05 2.57 0.26 2.90 -1.52 0.36 -4.92 119.66 119.26 2otm s GLN 41 Ca 0.57 -0.75 0.09 0.00 -1.95 0.00 0.00 55.36 53.32 2otm s GLN 41 Cb -0.37 -2.34 -0.04 0.00 -0.22 0.00 0.00 33.01 30.04 2otm s GLN 41 CO 0.38 0.53 0.08 -0.06 -0.25 0.00 0.00 175.29 175.97 2otm s PHE 42 N -0.50 2.86 -1.27 0.91 0.40 -1.26 -1.48 117.98 117.64 2otm s PHE 42 Ca 0.06 -0.18 -0.18 0.00 -0.60 0.00 0.00 56.93 56.04 2otm s PHE 42 Cb -0.12 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.14 2otm s PHE 42 CO 0.01 0.58 1.97 -0.35 0.70 0.00 0.00 175.22 178.13 2otm n PRO 43 N -1.01 2.63 -3.57 0.24 -0.04 -1.26 -4.20 135.00 127.78 2otm n PRO 43 Ca -0.07 -2.73 -0.38 0.00 -0.04 0.00 0.00 63.50 60.28 2otm n PRO 43 Cb 0.59 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 2otm n PRO 43 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2otm s TYR 44 N 4.86 3.70 -0.06 0.54 2.02 -1.26 -1.64 117.35 125.51 2otm s TYR 44 Ca 0.54 0.90 -0.01 0.00 -0.37 0.00 0.00 57.07 58.13 2otm s TYR 44 Cb 0.08 -2.22 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 2otm s TYR 44 CO 0.03 0.65 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.49 2otm s LEU 45 N -1.14 0.84 -1.55 -1.29 2.96 -0.27 -4.82 118.68 113.40 2otm s LEU 45 Ca 0.23 -0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.92 2otm s LEU 45 Cb -0.16 -0.41 0.09 0.00 0.50 0.00 0.00 46.19 46.22 2otm s LEU 45 CO 0.12 -0.15 0.93 0.00 -1.32 0.00 0.00 176.35 175.94 2otm n GLN 46 N 4.75 -5.11 -0.91 1.98 1.13 -1.26 -1.07 117.38 116.88 2otm n GLN 46 Ca -0.14 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 2otm n GLN 46 Cb 0.50 -5.40 0.00 0.00 0.11 0.00 0.00 30.24 25.45 2otm n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2otm n GLY 47 N -1.65 0.62 3.56 1.08 0.00 -1.26 -5.00 105.19 102.53 2otm n GLY 47 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2otm n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2otm s LYS 48 N -0.34 3.60 -0.43 1.61 2.20 -0.23 -5.05 119.74 121.09 2otm s LYS 48 Ca 0.00 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.86 2otm s LYS 48 Cb 0.00 -2.95 0.01 0.00 -1.51 0.00 0.00 37.83 33.38 2otm s LYS 48 CO 0.00 0.34 1.44 -1.17 -0.36 0.00 0.00 175.35 175.59 2otm s LEU 49 N 0.12 3.55 0.31 5.43 2.96 -1.26 -1.11 118.68 128.67 2otm s LEU 49 Ca 0.01 0.77 0.16 0.00 -0.22 0.00 0.00 54.13 54.85 2otm s LEU 49 Cb -0.13 -3.46 0.11 0.00 0.50 0.00 0.00 46.19 43.21 2otm s LEU 49 CO 0.02 -1.50 1.47 -0.07 -1.32 0.00 0.00 176.35 174.96 2otm h LEU 50 N 12.45 0.00 -7.59 -0.68 4.07 -1.66 -3.42 115.31 118.48 2otm h LEU 50 Ca -0.28 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.09 2otm h LEU 50 Cb 1.11 0.00 -0.38 0.00 1.08 0.00 0.00 40.66 42.46 2otm h LEU 50 CO 1.10 0.41 -0.78 -0.31 -1.08 0.00 0.00 178.44 177.78 2otm s TYR 51 N -3.01 2.19 -0.24 1.13 1.51 -1.26 -5.07 117.35 112.60 2otm s TYR 51 Ca 0.05 -1.61 -0.00 0.00 -1.01 0.00 0.00 57.07 54.49 2otm s TYR 51 Cb 0.07 -1.50 0.07 0.00 -0.11 0.00 0.00 41.96 40.49 2otm s TYR 51 CO 0.73 -0.75 0.01 -0.65 -1.11 0.00 0.00 175.55 173.78 2otm s GLN 52 N 1.47 1.17 0.00 -0.62 -0.21 -1.26 -1.60 119.66 118.61 2otm s GLN 52 Ca -0.05 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.45 2otm s GLN 52 Cb -0.18 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2otm s GLN 52 CO -0.06 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.82 2otm n GLY 53 N 4.79 0.05 3.03 3.09 0.00 -0.42 -4.89 105.19 110.85 2otm n GLY 53 Ca -0.08 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 2otm n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2otm s GLN 54 N -2.00 1.16 0.17 1.61 0.74 -1.26 -3.88 119.66 116.20 2otm s GLN 54 Ca 0.00 -0.37 -0.31 0.00 0.05 0.00 0.00 55.36 54.73 2otm s GLN 54 Cb 0.00 -1.05 -0.10 0.00 1.10 0.00 0.00 33.01 32.96 2otm s GLN 54 CO 0.00 0.14 1.55 -1.17 -0.55 0.00 0.00 175.29 175.26 2otm s LEU 55 N 0.19 4.37 0.00 3.68 2.96 0.70 -0.58 118.68 130.00 2otm s LEU 55 Ca -0.04 2.62 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 2otm s LEU 55 Cb -0.09 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.00 2otm s LEU 55 CO 0.01 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.84 2otm n GLY 56 N 3.56 3.18 0.39 7.98 0.00 0.74 -0.56 105.19 120.49 2otm n GLY 56 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2otm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otm n ALA 57 N -0.90 1.65 -0.09 4.61 0.00 -0.91 -4.83 120.51 120.03 2otm n ALA 57 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 2otm n ALA 57 Cb 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 19.45 19.49 2otm n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2otm n ASP 58 N -4.00 0.59 -4.12 0.00 8.00 0.26 -5.00 116.55 112.27 2otm n ASP 58 Ca -0.26 -0.01 -0.22 0.00 0.71 0.00 0.00 54.79 55.01 2otm n ASP 58 Cb 0.59 0.83 -0.15 0.00 -0.02 0.00 0.00 41.12 42.37 2otm n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2otm s TYR 59 N -2.45 1.30 0.82 1.24 2.02 -1.06 -4.94 117.35 114.27 2otm s TYR 59 Ca -0.11 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.20 2otm s TYR 59 Cb 0.06 -0.82 0.09 0.00 -0.40 0.00 0.00 41.96 40.88 2otm s TYR 59 CO 0.74 -0.01 1.19 0.95 -1.57 0.00 0.00 175.55 176.86 2otm s THR 60 N -0.44 2.00 0.23 -0.71 -4.23 -1.26 -0.18 115.64 111.05 2otm s THR 60 Ca 0.05 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 2otm s THR 60 Cb -0.06 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 70.98 2otm s THR 60 CO -0.00 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.51 2otm h VAL 61 N -1.11 1.26 -0.40 2.29 2.07 -1.99 -0.42 116.25 117.95 2otm h VAL 61 Ca -0.46 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 2otm h VAL 61 Cb 1.32 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2otm h VAL 61 CO 0.63 0.30 -0.00 0.77 0.02 0.00 0.00 177.57 179.29 2otm h SER 62 N 1.25 0.61 -0.36 0.57 4.64 -1.96 -0.21 113.55 118.09 2otm h SER 62 Ca 0.31 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.42 2otm h SER 62 Cb 0.04 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2otm h SER 62 CO -0.05 0.68 -0.09 -0.33 -0.87 0.00 0.00 176.83 176.17 2otm h GLU 63 N 0.61 0.69 -0.79 4.77 5.08 -1.78 -1.52 114.58 121.63 2otm h GLU 63 Ca 0.13 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2otm h GLU 63 Cb 0.39 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.53 2otm h GLU 63 CO 0.01 0.86 0.46 0.78 -1.00 0.00 0.00 179.01 180.12 2otm h GLY 64 N 0.49 1.21 0.73 -3.84 0.00 -0.67 0.84 103.07 101.82 2otm h GLY 64 Ca 0.09 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.14 2otm h GLY 64 CO 0.04 0.17 0.10 -1.82 0.00 0.00 0.00 176.54 175.03 2otm h TYR 65 N 0.81 0.17 -0.96 5.60 5.03 -0.88 0.19 116.97 126.94 2otm h TYR 65 Ca 0.37 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.72 2otm h TYR 65 Cb 0.27 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.46 2otm h TYR 65 CO -0.06 0.07 0.63 0.00 -1.32 0.00 0.00 178.16 177.48 2otm h ALA 66 N 1.20 1.36 -0.32 1.82 0.00 -0.45 -0.99 119.26 121.87 2otm h ALA 66 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2otm h ALA 66 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2otm h ALA 66 CO -0.15 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.63 2otm h ALA 67 N 1.43 0.43 -0.27 0.00 0.00 -0.27 -1.04 119.26 119.54 2otm h ALA 67 Ca 0.37 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2otm h ALA 67 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2otm h ALA 67 CO -0.10 0.24 -0.26 0.00 0.00 0.00 0.00 179.25 179.13 2otm h ARG 69 N 0.45 0.23 -0.48 0.00 2.43 -1.01 -1.55 114.38 114.46 2otm h ARG 69 Ca 0.06 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2otm h ARG 69 Cb 0.69 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2otm h ARG 69 CO 0.05 0.18 -0.00 1.25 -1.51 0.00 0.00 179.97 179.94 2otm h LEU 70 N 0.22 0.83 -1.21 3.80 5.85 -0.88 -0.09 115.31 123.83 2otm h LEU 70 Ca 0.06 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.49 2otm h LEU 70 Cb -0.00 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 2otm h LEU 70 CO -0.01 0.94 0.54 0.00 -0.34 0.00 0.00 178.44 179.56 2otm h ALA 71 N 0.92 1.45 -0.35 1.25 0.00 -1.08 -1.39 119.26 120.07 2otm h ALA 71 Ca 0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2otm h ALA 71 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2otm h ALA 71 CO 0.03 0.50 -0.39 1.15 0.00 0.00 0.00 179.25 180.53 2otm h THR 72 N 1.07 1.28 -0.81 0.00 2.02 -0.84 0.05 112.91 115.68 2otm h THR 72 Ca 0.31 -1.57 0.05 0.00 0.77 0.00 0.00 66.41 65.97 2otm h THR 72 Cb -0.07 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2otm h THR 72 CO -0.07 0.52 0.51 0.25 0.37 0.00 0.00 175.52 177.09 2otm h LEU 73 N 0.69 0.82 -0.66 2.58 5.85 -0.61 0.20 115.31 124.18 2otm h LEU 73 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2otm h LEU 73 Cb 0.96 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2otm h LEU 73 CO 0.09 0.54 0.42 0.78 -0.34 0.00 0.00 178.44 179.93 2otm h ASN 74 N 0.96 0.78 -0.66 1.25 2.35 -0.87 -1.12 115.58 118.26 2otm h ASN 74 Ca 0.34 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 56.01 2otm h ASN 74 Cb 0.10 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2otm h ASN 74 CO -0.15 0.59 0.26 0.00 -1.65 0.00 0.00 177.43 176.48 2otm h ALA 75 N 1.22 1.17 -0.47 -0.83 0.00 0.02 -1.56 119.26 118.81 2otm h ALA 75 Ca 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2otm h ALA 75 Cb -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2otm h ALA 75 CO -0.05 0.60 -0.11 0.82 0.00 0.00 0.00 179.25 180.50 2otm h ILE 76 N 0.99 1.26 -0.91 0.00 2.04 -0.42 -0.75 117.51 119.72 2otm h ILE 76 Ca 0.23 -1.21 0.06 0.00 1.00 0.00 0.00 64.86 64.94 2otm h ILE 76 Cb 0.21 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2otm h ILE 76 CO -0.02 0.42 0.58 0.00 0.00 0.00 0.00 178.15 179.13 2otm h ALA 77 N 1.10 1.25 -0.48 1.87 0.00 -0.74 0.61 119.26 122.87 2otm h ALA 77 Ca 0.13 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2otm h ALA 77 Cb 0.62 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2otm h ALA 77 CO 0.04 0.35 -0.03 0.37 0.00 0.00 0.00 179.25 179.98 2otm h GLN 78 N 1.06 0.88 -0.70 0.00 5.75 -0.66 -1.58 115.11 119.85 2otm h GLN 78 Ca 0.39 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 2otm h GLN 78 Cb 0.15 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 2otm h GLN 78 CO -0.17 0.93 0.17 -0.07 -2.65 0.00 0.00 178.83 177.05 2otm h LEU 79 N 0.73 1.05 -0.63 -2.39 3.38 -0.65 -1.98 115.31 114.82 2otm h LEU 79 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2otm h LEU 79 Cb 0.56 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2otm h LEU 79 CO 0.03 1.00 0.19 0.50 0.09 0.00 0.00 178.44 180.26 2otm h LYS 80 N 1.05 0.99 -0.84 1.13 3.64 -0.62 -1.01 116.57 120.90 2otm h LYS 80 Ca 0.22 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2otm h LYS 80 Cb 0.36 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2otm h LYS 80 CO 0.00 0.87 0.51 0.37 -2.27 0.00 0.00 179.45 178.93 2otm h GLN 81 N 0.91 0.89 -0.17 1.90 4.15 -1.07 0.44 115.11 122.15 2otm h GLN 81 Ca 0.20 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.40 2otm h GLN 81 Cb 0.30 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 2otm h GLN 81 CO -0.01 0.59 -0.59 0.00 -1.93 0.00 0.00 178.83 176.89 2otm h ALA 82 N 1.41 0.65 -0.00 3.38 0.00 -0.86 -3.37 119.26 120.47 2otm h ALA 82 Ca 0.37 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2otm h ALA 82 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2otm h ALA 82 CO -0.19 0.70 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 2otm n GLY 84 N 0.44 2.04 3.20 0.00 0.00 0.15 -4.78 105.19 106.25 2otm n GLY 84 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2otm n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otm s GLU 85 N 0.00 3.09 0.55 1.61 0.41 -1.26 -4.87 118.70 118.22 2otm s GLU 85 Ca 0.00 -0.82 0.36 0.00 -0.41 0.00 0.00 54.97 54.10 2otm s GLU 85 Cb 0.00 -2.50 1.65 0.00 -1.78 0.00 0.00 34.13 31.50 2otm s GLU 85 CO 0.00 -0.01 2.06 -0.07 -0.49 0.00 0.00 175.26 176.76 2otm h LEU 86 N 7.32 0.00 -2.71 1.80 3.38 -1.90 -1.77 115.31 121.44 2otm h LEU 86 Ca -0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2otm h LEU 86 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2otm h LEU 86 CO 0.56 0.00 -0.00 0.77 0.09 0.00 0.00 178.44 179.86 2otm h SER 87 N 0.00 0.00 0.85 -0.43 4.64 -1.96 -1.91 113.55 114.74 2otm h SER 87 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2otm h SER 87 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2otm h SER 87 CO 0.00 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 175.99 2otm h ARG 88 N 0.00 0.00 -6.14 4.77 3.08 -1.67 -3.43 114.38 110.99 2otm h ARG 88 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2otm h ARG 88 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2otm h ARG 88 CO 0.00 0.00 0.87 0.42 -1.07 0.00 0.00 179.97 180.19 2otm s ILE 89 N -3.56 4.37 0.12 2.04 1.01 -0.72 -4.68 121.20 119.78 2otm s ILE 89 Ca 0.02 1.65 -0.13 0.00 0.00 0.00 0.00 60.65 62.19 2otm s ILE 89 Cb 0.09 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 2otm s ILE 89 CO 0.48 -0.14 1.44 0.11 0.00 0.00 0.00 174.94 176.82 2otm h LYS 90 N 8.02 0.83 -1.89 2.79 1.57 -0.64 -3.47 116.57 123.77 2otm h LYS 90 Ca -0.25 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.05 2otm h LYS 90 Cb 1.10 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 2otm h LYS 90 CO 0.97 1.09 0.25 1.14 -0.57 0.00 0.00 179.45 182.33 2otm s GLN 91 N -4.32 0.87 -0.81 3.15 -2.07 -1.20 -4.72 119.66 110.57 2otm s GLN 91 Ca -0.12 0.49 -0.19 0.00 -1.82 0.00 0.00 55.36 53.72 2otm s GLN 91 Cb 0.10 0.42 0.12 0.00 -1.09 0.00 0.00 33.01 32.55 2otm s GLN 91 CO 0.86 -0.21 1.00 0.42 -1.32 0.00 0.00 175.29 176.04 2otm s ILE 92 N -0.58 4.70 -0.54 3.63 -1.09 0.67 -0.75 121.20 127.24 2otm s ILE 92 Ca -0.05 -1.25 0.24 0.00 -2.23 0.00 0.00 60.65 57.36 2otm s ILE 92 Cb -0.02 -4.70 0.14 0.00 -1.58 0.00 0.00 42.46 36.31 2otm s ILE 92 CO 0.05 -1.41 1.41 0.10 -1.23 0.00 0.00 174.94 173.86 2otm h TYR 93 N 9.00 0.00 -2.91 3.97 -0.00 -1.57 -3.35 116.97 122.11 2otm h TYR 93 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.56 2otm h TYR 93 Cb 1.05 0.00 -0.26 0.00 -0.00 0.00 0.00 36.73 37.52 2otm h TYR 93 CO 1.06 0.00 -0.35 0.50 -0.00 0.00 0.00 178.16 179.37 2otm s ARG 94 N -3.20 0.35 -0.08 0.10 6.06 -1.19 -1.80 118.95 119.19 2otm s ARG 94 Ca 0.06 0.52 0.04 0.00 -2.50 0.00 0.00 55.73 53.86 2otm s ARG 94 Cb 0.11 0.10 -0.01 0.00 0.06 0.00 0.00 34.95 35.21 2otm s ARG 94 CO 0.70 -0.08 -0.23 -1.17 -2.50 0.00 0.00 175.30 172.02 2otm s LEU 95 N 0.57 2.19 -0.09 -0.88 2.96 -0.66 -1.65 118.68 121.11 2otm s LEU 95 Ca -0.03 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2otm s LEU 95 Cb -0.05 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.24 2otm s LEU 95 CO -0.03 0.21 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.50 2otm s GLU 96 N 0.06 1.56 0.03 1.98 2.02 -0.36 -4.12 118.70 119.87 2otm s GLU 96 Ca -0.09 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.62 2otm s GLU 96 Cb -0.15 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.60 2otm s GLU 96 CO 0.06 -0.12 -0.14 0.20 0.02 0.00 0.00 175.26 175.28 2otm s GLY 97 N 1.19 0.76 -0.07 -1.39 0.00 -1.26 -0.85 107.32 105.70 2otm s GLY 97 Ca -0.05 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.94 2otm s GLY 97 CO -0.02 -0.74 -0.20 0.14 0.00 0.00 0.00 173.10 172.28 2otm s VAL 98 N -0.76 1.67 0.10 1.40 1.01 -0.01 -1.12 120.40 122.69 2otm s VAL 98 Ca 0.02 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.24 2otm s VAL 98 Cb -0.07 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2otm s VAL 98 CO 0.01 0.47 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 2otm s LEU 99 N 0.20 2.33 -0.28 3.92 1.02 -0.58 -1.01 118.68 124.28 2otm s LEU 99 Ca -0.10 -0.70 -0.15 0.00 0.02 0.00 0.00 54.13 53.20 2otm s LEU 99 Cb -0.15 -0.70 -0.04 0.00 0.02 0.00 0.00 46.19 45.33 2otm s LEU 99 CO 0.05 -0.03 0.36 0.21 0.02 0.00 0.00 176.35 176.96 2otm s ASN 100 N -2.03 6.23 -0.05 2.29 2.47 -0.45 -1.90 114.94 121.50 2otm s ASN 100 Ca 0.05 0.22 0.02 0.00 0.42 0.00 0.00 52.86 53.57 2otm s ASN 100 Cb -0.09 -2.20 0.02 0.00 -1.45 0.00 0.00 41.25 37.53 2otm s ASN 100 CO 0.04 -0.19 -0.08 -0.69 -3.72 0.00 0.00 177.10 172.45 2otm s VAL 101 N 2.05 0.77 0.49 -5.21 1.01 -1.26 -0.21 120.40 118.04 2otm s VAL 101 Ca 0.14 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 2otm s VAL 101 Cb -0.16 -0.74 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2otm s VAL 101 CO 0.10 0.27 1.09 -2.28 0.00 0.00 0.00 175.10 174.28 2otm s HIS 102 N 0.71 2.89 0.56 5.22 2.46 0.27 -4.89 115.29 122.51 2otm s HIS 102 Ca -0.12 1.57 0.25 0.00 0.47 0.00 0.00 55.06 57.23 2otm s HIS 102 Cb -0.14 -3.19 1.49 0.00 -0.13 0.00 0.00 32.58 30.61 2otm s HIS 102 CO 0.02 -1.16 2.08 -0.56 -2.47 0.00 0.00 174.74 172.64 2otm h GLN 103 N 1.60 0.00 0.00 2.88 -0.00 -1.99 -1.04 115.11 116.55 2otm h GLN 103 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2otm h GLN 103 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2otm h GLN 103 CO 0.59 0.00 0.00 -1.13 -0.00 0.00 0.00 178.83 178.29 2otm n SER 104 N -4.15 0.00 -4.04 0.06 3.41 -1.26 -4.71 113.62 102.93 2otm n SER 104 Ca 0.03 -0.05 -0.29 0.00 -0.26 0.00 0.00 58.87 58.30 2otm n SER 104 Cb 0.36 -0.26 -0.17 0.00 -0.26 0.00 0.00 64.21 63.89 2otm n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otm n ILE 106 N 4.39 2.03 -0.07 0.00 -5.35 -1.26 -4.69 119.36 114.42 2otm n ILE 106 Ca -0.18 -2.28 0.04 0.00 -0.27 0.00 0.00 62.75 60.06 2otm n ILE 106 Cb 0.51 -0.25 0.23 0.00 -1.74 0.00 0.00 39.64 38.39 2otm n ILE 106 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2otm n GLU 107 N -1.20 3.21 0.25 6.28 -0.58 -1.26 -4.38 120.64 122.96 2otm n GLU 107 Ca 0.18 -1.79 0.09 0.00 -0.42 0.00 0.00 57.16 55.22 2otm n GLU 107 Cb 0.72 -1.93 0.63 0.00 -0.57 0.00 0.00 31.44 30.28 2otm n GLU 107 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2otm h HIS 108 N 2.27 0.00 -0.15 -0.32 2.07 -2.00 -1.20 115.15 115.82 2otm h HIS 108 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 2otm h HIS 108 Cb 1.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.31 2otm h HIS 108 CO 0.62 0.14 0.03 -1.35 -3.07 0.00 0.00 177.93 174.30 2otm h PRO 109 N 0.00 0.21 -0.62 5.12 0.11 -2.00 -0.18 132.00 134.64 2otm h PRO 109 Ca -0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 2otm h PRO 109 Cb 0.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 2otm h PRO 109 CO 0.02 0.21 0.01 0.87 -0.21 0.00 0.00 178.00 178.90 2otm h LYS 110 N 0.21 1.09 -0.39 1.05 1.57 -1.57 -2.00 116.57 116.52 2otm h LYS 110 Ca 0.05 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2otm h LYS 110 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2otm h LYS 110 CO -0.00 1.05 0.24 0.00 -0.57 0.00 0.00 179.45 180.17 2otm h ALA 111 N 1.00 0.50 0.00 3.86 0.00 -1.17 -2.70 119.26 120.75 2otm h ALA 111 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2otm h ALA 111 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2otm h ALA 111 CO 0.03 -0.01 0.00 1.25 0.00 0.00 0.00 179.25 180.52 2otm h LEU 112 N 0.52 0.00 -2.91 0.00 5.85 -0.77 -0.24 115.31 117.76 2otm h LEU 112 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2otm h LEU 112 Cb -0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2otm h LEU 112 CO -0.03 0.00 0.03 0.44 -0.34 0.00 0.00 178.44 178.54 2otm h ASP 113 N 0.00 0.00 -0.98 1.25 3.32 -1.02 0.01 116.42 119.00 2otm h ASP 113 Ca 0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2otm h ASP 113 Cb 0.37 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.85 2otm h ASP 113 CO 0.00 0.00 0.63 1.23 -1.72 0.00 0.00 179.24 179.38 2otm h GLY 114 N 0.00 1.48 0.34 2.75 0.00 -1.13 0.24 103.07 106.74 2otm h GLY 114 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 2otm h GLY 114 CO -0.00 0.32 -0.07 0.00 0.00 0.00 0.00 176.54 176.79 2otm h ALA 115 N 1.47 -0.20 -0.56 3.60 0.00 -1.13 -3.12 119.26 119.32 2otm h ALA 115 Ca 0.42 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2otm h ALA 115 Cb 0.19 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2otm h ALA 115 CO -0.17 -0.28 0.23 0.77 0.00 0.00 0.00 179.25 179.80 2otm h SER 116 N -0.87 0.27 -0.77 0.00 0.02 -1.25 -1.99 113.55 108.96 2otm h SER 116 Ca -0.02 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2otm h SER 116 Cb 0.53 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 2otm h SER 116 CO 0.03 0.18 0.34 0.44 -1.14 0.00 0.00 176.83 176.68 2otm h ASP 117 N 0.43 1.04 -0.55 3.07 3.32 -0.65 -2.30 116.42 120.77 2otm h ASP 117 Ca 0.27 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 2otm h ASP 117 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2otm h ASP 117 CO -0.25 0.90 -0.09 0.25 -1.72 0.00 0.00 179.24 178.33 2otm h LEU 118 N 1.12 1.04 -0.53 1.55 5.85 -1.31 -0.97 115.31 122.05 2otm h LEU 118 Ca 0.26 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2otm h LEU 118 Cb 0.17 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2otm h LEU 118 CO -0.03 1.14 0.28 -0.07 -0.34 0.00 0.00 178.44 179.42 2otm h LEU 119 N 0.93 0.41 -0.42 2.25 3.38 -1.02 0.70 115.31 121.55 2otm h LEU 119 Ca 0.15 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2otm h LEU 119 Cb 0.66 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2otm h LEU 119 CO 0.05 0.28 -0.28 -0.07 0.09 0.00 0.00 178.44 178.51 2otm h LEU 120 N 0.54 0.97 -0.73 1.67 3.38 -1.21 0.87 115.31 120.81 2otm h LEU 120 Ca 0.23 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2otm h LEU 120 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2otm h LEU 120 CO -0.15 1.19 0.43 -0.08 0.09 0.00 0.00 178.44 179.92 2otm h GLU 121 N 0.75 0.99 0.11 1.13 4.81 -0.65 -0.06 114.58 121.67 2otm h GLU 121 Ca 0.08 -0.10 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 2otm h GLU 121 Cb 0.87 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2otm h GLU 121 CO 0.08 0.71 -1.98 -0.89 -0.73 0.00 0.00 179.01 176.20 2otm n ILE 122 N -4.51 1.76 0.86 2.32 2.08 0.19 -4.35 119.36 117.72 2otm n ILE 122 Ca 0.06 -0.67 0.10 0.00 0.56 0.00 0.00 62.75 62.80 2otm n ILE 122 Cb 0.07 -1.65 -0.00 0.00 -0.75 0.00 0.00 39.64 37.30 2otm n ILE 122 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2otm n PHE 123 N -3.43 0.00 -2.56 1.39 3.01 0.29 -4.25 117.46 111.92 2otm n PHE 123 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 2otm n PHE 123 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 2otm n PHE 123 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2otm n GLY 124 N 1.29 3.07 0.24 1.37 0.00 -0.04 -1.86 105.19 109.28 2otm n GLY 124 Ca 0.08 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.90 2otm n GLY 124 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2otm h GLU 125 N 0.00 0.00 0.00 1.61 4.39 -1.94 -0.27 114.58 118.37 2otm h GLU 125 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2otm h GLU 125 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2otm h GLU 125 CO 0.00 0.14 0.00 0.00 -1.16 0.00 0.00 179.01 177.99 2otm n ALA 126 N -2.41 1.44 0.49 3.43 0.00 -0.78 -2.70 120.51 119.99 2otm n ALA 126 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2otm n ALA 126 Cb 0.23 -1.26 0.19 0.00 0.00 0.00 0.00 19.45 18.60 2otm n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2otm n GLY 127 N -0.49 1.54 3.68 0.00 0.00 -0.11 -0.23 105.19 109.57 2otm n GLY 127 Ca 0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2otm n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2otm s ARG 128 N -1.63 4.30 0.03 1.61 0.52 -1.10 -4.30 118.95 118.38 2otm s ARG 128 Ca 0.36 1.81 -0.01 0.00 -0.52 0.00 0.00 55.73 57.38 2otm s ARG 128 Cb 0.22 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.06 2otm s ARG 128 CO 0.31 -0.56 -0.01 -3.38 0.02 0.00 0.00 175.30 171.69 2otm s HIS 129 N 2.56 0.30 0.73 -0.53 -3.43 -1.26 -4.56 115.29 109.10 2otm s HIS 129 Ca 0.60 -0.62 -0.10 0.00 -0.80 0.00 0.00 55.06 54.13 2otm s HIS 129 Cb -0.27 -0.22 0.04 0.00 -1.43 0.00 0.00 32.58 30.70 2otm s HIS 129 CO 0.23 -0.25 1.09 -1.54 -2.00 0.00 0.00 174.74 172.27 2otm s SER 130 N -1.83 5.06 0.00 7.38 1.04 -0.75 -4.93 113.70 119.67 2otm s SER 130 Ca -0.10 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2otm s SER 130 Cb -0.05 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.50 2otm s SER 130 CO -0.03 -1.54 0.00 -2.11 0.98 0.00 0.00 173.24 170.54 2otm n ARG 131 N -3.06 0.00 -3.65 4.02 1.85 -1.26 -1.66 116.66 112.91 2otm n ARG 131 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.88 2otm n ARG 131 Cb 0.59 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.93 2otm n ARG 131 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2otm s ILE 133 N -2.19 0.00 0.06 8.89 2.07 -1.26 -4.98 121.20 123.80 2otm s ILE 133 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2otm s ILE 133 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2otm s ILE 133 CO 0.00 0.00 -0.07 0.26 -1.91 0.00 0.00 174.94 173.22 2otm s TRP 134 N 0.06 0.73 -0.06 3.50 0.51 -0.28 -4.98 118.94 118.41 2otm s TRP 134 Ca 0.07 -0.67 0.02 0.00 -2.12 0.00 0.00 56.10 53.40 2otm s TRP 134 Cb -0.05 -0.43 -0.03 0.00 -0.81 0.00 0.00 33.47 32.15 2otm s TRP 134 CO -0.14 -0.12 -0.09 0.95 -0.51 0.00 0.00 176.95 177.03 2otm s THR 135 N -2.26 3.49 0.05 2.01 -4.23 -1.26 -1.53 115.64 111.91 2otm s THR 135 Ca -0.02 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 2otm s THR 135 Cb -0.04 -2.41 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 2otm s THR 135 CO -0.02 0.60 -0.14 0.20 -0.54 0.00 0.00 174.62 174.71 2otm s ASN 136 N -0.78 1.72 0.36 3.99 0.02 -0.80 -4.93 114.94 114.51 2otm s ASN 136 Ca 0.12 -0.51 0.19 0.00 -1.02 0.00 0.00 52.86 51.64 2otm s ASN 136 Cb -0.11 -0.09 0.44 0.00 0.02 0.00 0.00 41.25 41.51 2otm s ASN 136 CO 0.01 0.01 1.62 1.55 0.02 0.00 0.00 177.10 180.30 2otm h PRO 137 N 4.72 0.00 -4.89 -0.60 0.13 -1.96 -3.38 132.00 126.02 2otm h PRO 137 Ca -0.39 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.35 2otm h PRO 137 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2otm h PRO 137 CO 0.43 0.36 -0.58 0.08 -0.23 0.00 0.00 178.00 178.05 2otm s VAL 138 N -3.28 0.45 -0.08 1.56 1.01 -1.26 -5.01 120.40 113.79 2otm s VAL 138 Ca 0.03 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.89 2otm s VAL 138 Cb 0.09 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2otm s VAL 138 CO 0.70 0.00 0.27 -2.84 0.00 0.00 0.00 175.10 173.23 2otm s PRO 140 N -3.92 3.77 -1.26 2.72 0.02 -1.26 -5.07 135.00 129.99 2otm s PRO 140 Ca 0.36 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.51 2otm s PRO 140 Cb 0.06 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2otm s PRO 140 CO 0.15 0.66 0.00 1.28 -0.33 0.00 0.00 177.00 178.76 2otm n LEU 141 N 2.16 -0.50 -2.28 -5.54 4.77 -1.26 -1.24 117.00 113.11 2otm n LEU 141 Ca -0.16 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 55.95 2otm n LEU 141 Cb 0.53 -2.57 -0.02 0.00 -2.33 0.00 0.00 43.42 39.04 2otm n LEU 141 CO 0.35 -0.98 -0.20 -3.20 -1.33 0.00 0.00 177.39 172.02 2otm n ASN 142 N -1.06 -4.82 -4.76 -1.43 5.15 -1.26 -4.93 115.26 102.15 2otm n ASN 142 Ca -0.12 0.14 -0.38 0.00 -0.60 0.00 0.00 54.58 53.62 2otm n ASN 142 Cb 0.57 -4.09 0.03 0.00 -0.53 0.00 0.00 39.78 35.75 2otm n ASN 142 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2otm s SER 143 N -2.09 5.55 0.33 1.20 0.15 -0.38 -1.29 113.70 117.17 2otm s SER 143 Ca 0.00 2.64 0.08 0.00 0.70 0.00 0.00 55.95 59.37 2otm s SER 143 Cb 0.00 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 62.27 2otm s SER 143 CO 0.00 -1.37 1.79 0.25 1.20 0.00 0.00 173.24 175.11 2otm h LEU 144 N 1.66 0.23 -7.53 3.45 5.85 -1.41 -3.41 115.31 114.15 2otm h LEU 144 Ca -0.50 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 2otm h LEU 144 Cb 1.28 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 2otm h LEU 144 CO 0.58 0.53 -0.08 0.00 -0.34 0.00 0.00 178.44 179.14 2otm s LEU 146 N -2.84 1.41 -0.02 0.00 1.43 -0.18 -4.49 118.68 113.99 2otm s LEU 146 Ca 0.06 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.37 2otm s LEU 146 Cb 0.01 0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.42 2otm s LEU 146 CO -0.09 -0.07 -0.20 -0.69 0.23 0.00 0.00 176.35 175.54 2otm s VAL 147 N 0.46 1.57 -0.03 -1.59 1.01 -0.55 -0.83 120.40 120.43 2otm s VAL 147 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.14 2otm s VAL 147 Cb -0.05 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 2otm s VAL 147 CO -0.02 0.44 -0.14 -0.31 0.00 0.00 0.00 175.10 175.08 2otm s TYR 148 N -0.40 1.36 0.10 5.22 1.51 -0.03 -0.48 117.35 124.62 2otm s TYR 148 Ca 0.06 -0.36 0.10 0.00 -1.01 0.00 0.00 57.07 55.86 2otm s TYR 148 Cb -0.08 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 2otm s TYR 148 CO -0.00 -0.13 -0.27 -0.51 -1.11 0.00 0.00 175.55 173.53 2otm s LEU 149 N 0.08 2.26 -0.08 -1.29 1.43 -1.26 -1.22 118.68 118.59 2otm s LEU 149 Ca -0.03 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 2otm s LEU 149 Cb -0.10 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.89 2otm s LEU 149 CO 0.01 0.21 -0.13 -0.36 0.23 0.00 0.00 176.35 176.31 2otm s PHE 150 N -0.97 1.65 0.06 0.29 0.40 -0.66 -1.52 117.98 117.23 2otm s PHE 150 Ca 0.13 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.84 2otm s PHE 150 Cb -0.10 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 2otm s PHE 150 CO 0.05 -0.36 -0.18 0.00 0.70 0.00 0.00 175.22 175.42 2otm s ALA 151 N 0.86 1.52 -0.21 5.36 0.00 0.39 -1.72 121.76 127.97 2otm s ALA 151 Ca -0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.74 2otm s ALA 151 Cb -0.15 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 2otm s ALA 151 CO 0.01 0.31 0.15 -2.00 0.00 0.00 0.00 175.76 174.23 2otm s GLU 152 N -1.36 4.16 0.00 0.00 2.12 0.07 -0.21 118.70 123.48 2otm s GLU 152 Ca 0.04 -0.21 0.19 0.00 0.36 0.00 0.00 54.97 55.35 2otm s GLU 152 Cb -0.09 -3.45 0.15 0.00 0.26 0.00 0.00 34.13 31.00 2otm s GLU 152 CO 0.02 0.23 1.09 1.28 -0.54 0.00 0.00 175.26 177.34